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NCID-ZINC01740251

 MMsINC code: MMs02359214
Type: Neutral
Formula: C9H17ClN2O2
SMILES:   ClCCNC(=O)NC1CCCCC1O
InChI:   InChI=1/C9H17ClN2O2/c10-5-6-11-9(14)12-7-3-1-2-4-8(7)13/h7-8,13H,1-6H2,(H2,11,12,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.0941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.7 g/mol  logS: -1.12299  SlogP: 0.8279  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0619602  Sterimol/B1: 2.40661  Sterimol/B2: 2.91343  Sterimol/B3: 3.08895
  Sterimol/B4: 6.06538  Sterimol/L: 14.9256 
 
 Surface and Volume Properties
  Accessible surface: 443.922  Positive charged surface: 302.72  Negative charged surface: 141.201  Volume: 206
  Hydrophobic surface: 265.122  Hydrophilic surface: 178.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.